(2S)-N-[[5-fluoro-2-methoxy-6-(oxan-4-yl)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C17H25ClFN3O3 — CID 126721985

IUPAC(2S)-N-[[5-fluoro-2-methoxy-6-(oxan-4-yl)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1nc(C2CCOCC2)c(F)cc1CNC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C17H24FN3O3.ClH/c1-23-17-12(10-20-16(22)14-3-2-6-19-14)9-13(18)15(21-17)11-4-7-24-8-5-11;/h9,11,14,19H,2-8,10H2,1H3,(H,20,22);1H/t14-;/m0./s1
InChIKeyNYDLQWZIOJURJL-UQKRIMTDSA-N
MW373.86 g/mol
LogP1.91
Rot. Bonds5

About (2S)-N-[[5-fluoro-2-methoxy-6-(oxan-4-yl)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[[5-fluoro-2-methoxy-6-(oxan-4-yl)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 126721985) has the molecular formula C17H25ClFN3O3 and a molecular weight of 373.86 g/mol. Its IUPAC name is (2S)-N-[[5-fluoro-2-methoxy-6-(oxan-4-yl)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[[5-fluoro-2-methoxy-6-(oxan-4-yl)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID126721985
Molecular FormulaC17H25ClFN3O3
Molecular Weight373.86 g/mol
Exact Mass373.16
IUPAC Name(2S)-N-[[5-fluoro-2-methoxy-6-(oxan-4-yl)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1nc(C2CCOCC2)c(F)cc1CNC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C17H24FN3O3.ClH/c1-23-17-12(10-20-16(22)14-3-2-6-19-14)9-13(18)15(21-17)11-4-7-24-8-5-11;/h9,11,14,19H,2-8,10H2,1H3,(H,20,22);1H/t14-;/m0./s1
InChIKeyNYDLQWZIOJURJL-UQKRIMTDSA-N
XLogP1.91
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[[5-fluoro-2-methoxy-6-(oxan-4-yl)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-(cyclohexylamino)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126721524
N-[[5-fluoro-6-(3,3,4,4,5,5-hexafluoropiperidin-1-yl)-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126721471
(2S)-N-[[5-fluoro-2-methoxy-6-(3,3,4,4-tetrafluorobutan-2-yloxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126721972
(2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126721415
N-[[6-(cyclobutylamino)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 126721520
(2S)-N-[[6-(2,3-dihydroindol-1-yl)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126721487
(2S)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]azetidine-2-carboxamide
CID 126721536
(2S)-N-[[6-[(4,4-difluorocyclohexyl)amino]-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 126721781
(2S)-N-[[6-[(4,4-difluorocyclohexyl)-methylamino]-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 126721939
(2S)-N-[[6-(3,3-difluoropiperidin-1-yl)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 126721946
N-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296053
N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 60737551

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[5-fluoro-2-methoxy-6-(oxan-4-yl)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[[5-fluoro-2-methoxy-6-(oxan-4-yl)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 126721985) is (2S)-N-[[5-fluoro-2-methoxy-6-(oxan-4-yl)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[[5-fluoro-2-methoxy-6-(oxan-4-yl)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[[5-fluoro-2-methoxy-6-(oxan-4-yl)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is COc1nc(C2CCOCC2)c(F)cc1CNC(=O)[C@@H]1CCCN1.Cl.
What is the InChIKey of (2S)-N-[[5-fluoro-2-methoxy-6-(oxan-4-yl)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is NYDLQWZIOJURJL-UQKRIMTDSA-N. The full InChI is InChI=1S/C17H24FN3O3.ClH/c1-23-17-12(10-20-16(22)14-3-2-6-19-14)9-13(18)15(21-17)11-4-7-24-8-5-11;/h9,11,14,19H,2-8,10H2,1H3,(H,20,22);1H/t14-;/m0./s1.
What are the key properties of (2S)-N-[[5-fluoro-2-methoxy-6-(oxan-4-yl)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[[5-fluoro-2-methoxy-6-(oxan-4-yl)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 373.86 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[5-fluoro-2-methoxy-6-(oxan-4-yl)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 126721985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).